1-(3-triethoxysilylpropyl)azepan-2-one

C15H31NO4Si — CID 22253238

IUPAC1-(3-triethoxysilylpropyl)azepan-2-one
SMILESCCO[Si](CCCN1CCCCCC1=O)(OCC)OCC
InChIInChI=1S/C15H31NO4Si/c1-4-18-21(19-5-2,20-6-3)14-10-13-16-12-9-7-8-11-15(16)17/h4-14H2,1-3H3
InChIKeyDBEUFJLGGZSDBH-UHFFFAOYSA-N
MW317.50 g/mol
LogP2.83
Rot. Bonds10

About 1-(3-triethoxysilylpropyl)azepan-2-one

1-(3-triethoxysilylpropyl)azepan-2-one (PubChem CID 22253238) has the molecular formula C15H31NO4Si and a molecular weight of 317.50 g/mol. Its IUPAC name is 1-(3-triethoxysilylpropyl)azepan-2-one.

Molecular Properties

Compound Name1-(3-triethoxysilylpropyl)azepan-2-one
PubChem CID22253238
Molecular FormulaC15H31NO4Si
Molecular Weight317.50 g/mol
Exact Mass317.20
IUPAC Name1-(3-triethoxysilylpropyl)azepan-2-one
SMILESCCO[Si](CCCN1CCCCCC1=O)(OCC)OCC
InChIInChI=1S/C15H31NO4Si/c1-4-18-21(19-5-2,20-6-3)14-10-13-16-12-9-7-8-11-15(16)17/h4-14H2,1-3H3
InChIKeyDBEUFJLGGZSDBH-UHFFFAOYSA-N
XLogP2.83
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-(3-triethoxysilylpropyl)azepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[diethoxy(methyl)silyl]ethyl]pyrrolidin-2-one
CID 165347947
1-[3-[3-(2-oxopiperidin-1-yl)propoxy]propyl]azepan-2-one
CID 67617562
1-[3-[dimethoxy(methyl)silyl]propyl]pyrrolidin-2-one
CID 19753601
1-(3-chloropropyl)azepan-2-one
CID 14811847
1-[4-[4-(2-oxoazepan-1-yl)butoxy]butyl]azepan-2-one;1-[3-[3-(2-oxoazepan-1-yl)propoxy]propyl]azepan-2-one;1-[4-[4-(2-oxopiperidin-1-yl)butoxy]butyl]piperidin-2-one
CID 159014559
1-[3-[4-(2-oxopiperidin-1-yl)butoxy]propyl]azepan-2-one
CID 67613855
1-decylpyrrolidin-2-one;1-dodecylpyrrolidin-2-one;1-heptylpyrrolidin-2-one;1-hexylpyrrolidin-2-one;1-methylazepan-2-one;1-nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one;1-propylazepan-2-one
CID 173181742
1-(4-hydroxybutyl)azepan-2-one
CID 43509760
1-[3-[4-(2-oxopyrrolidin-1-yl)butoxy]propyl]azepan-2-one
CID 67617639
1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one
CID 67625232
ethyl 3-(2-oxoazepan-1-yl)propanoate
CID 14922094
1-(6-bromohexyl)azepan-2-one
CID 71348361

Frequently Asked Questions

What is the IUPAC name of 1-(3-triethoxysilylpropyl)azepan-2-one?
The IUPAC name of 1-(3-triethoxysilylpropyl)azepan-2-one (CID 22253238) is 1-(3-triethoxysilylpropyl)azepan-2-one.
What is the SMILES notation for 1-(3-triethoxysilylpropyl)azepan-2-one?
The canonical SMILES for 1-(3-triethoxysilylpropyl)azepan-2-one is CCO[Si](CCCN1CCCCCC1=O)(OCC)OCC.
What is the InChIKey of 1-(3-triethoxysilylpropyl)azepan-2-one?
The InChIKey is DBEUFJLGGZSDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4Si/c1-4-18-21(19-5-2,20-6-3)14-10-13-16-12-9-7-8-11-15(16)17/h4-14H2,1-3H3.
What are the key properties of 1-(3-triethoxysilylpropyl)azepan-2-one?
1-(3-triethoxysilylpropyl)azepan-2-one has a molecular weight of 317.50 g/mol, XLogP of 2.83, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-triethoxysilylpropyl)azepan-2-one is sourced from PubChem (CID 22253238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).